SCHEMBL20725540

SCHEMBL20725540

NCc1cccc(C(CCc2ccccc2)NCCc2ccccc2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.44
OPRK1 P41145 1/20 0.41
LOXL2 Q9Y4K0 1/20 0.41
SIGMAR1 Q99720 3/20 0.41
IDO1 P14902 2/20 0.40
NPC1 O15118 1/20 0.40
KDM1A O60341 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
HTR1A P08908 1/20 0.40
ADRA2A P08913 1/20 0.40
CYP2C8 P10632 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
TSHR P16473 1/20 0.40
NFKB1 P19838 1/20 0.40
MAOA P21397 1/20 0.40
PTGS1 P23219 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5283339 0.80 KCNH2 (0.50) KCNH2OPRK1LOXL2SIGMAR1IDO1
SCHEMBL20725527 0.76 LOXL2 (0.48) KCNH2LOXL2IDO1MAOAMAOB
SCHEMBL5049798 0.76 SIGMAR1 (0.49) KCNH2OPRK1LOXL2SIGMAR1IDO1
SCHEMBL10647657 0.74 MAOA (0.43) KCNH2OPRK1SIGMAR1TSHRMAOA
SCHEMBL7242928 0.71 SMN1; SMN2 (0.59) KCNH2SIGMAR1ALDH1A1CYP3A4CYP2D6
SCHEMBL28157913 0.69 KCNH2 (0.47) KCNH2LOXL2SIGMAR1IDO1NPC1
SCHEMBL29439067 0.68 GAA (0.63) KCNH2LOXL2SIGMAR1CYP1A2CYP3A4
SCHEMBL6276275 0.68 GAA (0.63) KCNH2LOXL2SIGMAR1CYP1A2CYP3A4
SCHEMBL7616722 0.68 RAB9A (0.71) KCNH2OPRK1SIGMAR1IDO1NPC1
SCHEMBL20725548 0.68 GAA (0.53) KCNH2SIGMAR1CYP1A2CYP3A4CYP2D6

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10941242-B2 Amine compound, amine composition, and epoxy resin curing agent MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2021-03-09 US disclosed
EP-3441385-B1 AMINE COMPOUND, AMINE COMPOSITION, AND EPOXY RESIN CURING AGENT MITSUBISHI GAS CHEMICAL CO (JP) 2020-09-02 EP disclosed
US-20190112416-A1 AMINE COMPOUND, AMINE COMPOSITION, AND EPOXY RESIN CURING AGENT MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2019-04-18 US disclosed
EP-3441385-A1 AMINE COMPOUND, AMINE COMPOSITION, AND EPOXY RESIN CURING AGENT Mitsubishi Gas Chemical Company, Inc. (JP) 2019-02-13 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20190112416-A1 AMINE COMPOUND, AMINE COMPOSITION, AND EPOXY RESIN CURING AGENT EHMT1, SETDB1, DOT1L KCNH2 2894/4885OPRK1 1684/4885LOXL2 1215/4885
US-10941242-B2 Amine compound, amine composition, and epoxy resin curing agent EHMT1, SETDB1, DOT1L KCNH2 2894/4885OPRK1 1684/4885LOXL2 1215/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.